N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide

C14H17F2N3O2 — CID 107479644

IUPACN-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N(CCO)CC(F)F
InChIInChI=1S/C14H17F2N3O2/c1-10(19(5-6-20)9-13(15)16)14(21)18-12-4-2-3-11(7-12)8-17/h2-4,7,10,13,20H,5-6,9H2,1H3,(H,18,21)
InChIKeyWRSXHEMJXBGAGM-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.44
Rot. Bonds7

About N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide

N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide (PubChem CID 107479644) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
PubChem CID107479644
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N(CCO)CC(F)F
InChIInChI=1S/C14H17F2N3O2/c1-10(19(5-6-20)9-13(15)16)14(21)18-12-4-2-3-11(7-12)8-17/h2-4,7,10,13,20H,5-6,9H2,1H3,(H,18,21)
InChIKeyWRSXHEMJXBGAGM-UHFFFAOYSA-N
XLogP1.44
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107479691
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689256
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide
CID 107494405
N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881185
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
CID 61441386

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide (CID 107479644) is N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide is CC(C(=O)Nc1cccc(C#N)c1)N(CCO)CC(F)F.
What is the InChIKey of N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
The InChIKey is WRSXHEMJXBGAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-10(19(5-6-20)9-13(15)16)14(21)18-12-4-2-3-11(7-12)8-17/h2-4,7,10,13,20H,5-6,9H2,1H3,(H,18,21).
What are the key properties of N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide has a molecular weight of 297.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 107479644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).